SCHEMBL31080129

SCHEMBL31080129

CC(C)(C)OC(=O)NCCNc1ccc(-c2ccc(OC[C@@H](O)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39
▸ SUCNR1 Q9BXA5 6/20 0.38
▸ BCHE P06276 2/20 0.38
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CNR2 P34972 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29354779 1.00 GPR88 (0.40) GPR88MALT1SUCNR1BCHECKS1B
SCHEMBL18991830 0.89 KDM4E (0.36) KDM4EALDH1A1PRMT5TSHRHTT
SCHEMBL29357754 0.83 GPR88 (0.41) GPR88MALT1SUCNR1BCHECA12
SCHEMBL29357817 0.76 MALT1 (0.43) GPR88MALT1SUCNR1BCHECKS1B
SCHEMBL18990553 0.73 CA12 (0.41) MALT1SUCNR1BCHECKS1BSKP1
SCHEMBL31079965 0.73 CA12 (0.41) MALT1SUCNR1BCHECKS1BSKP1
SCHEMBL18990554 0.73 CA12 (0.41) MALT1SUCNR1BCHECKS1BSKP1
SCHEMBL18991113 0.72 MALT1 (0.41) MALT1BCHECKS1BSKP1SKP2
SCHEMBL18990935 0.72 LMNA (0.41) PRMT5LMNA
SCHEMBL18990453 0.71 AAK1 (0.45) GPR88MALT1SUCNR1CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 — — CN disclosed
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